Problem: You are to create a program to help in the analysis of data obtained from an x-ray powder diffractometer used to characterize materials. In the diffractometer a sample is exposed to x-rays of a specific wavelength and a detector placed on a goniometer is used to measure the angles where constructive interference of the diffracted beam occurs (called peaks) and the intensity of these peaks. The location of these peaks is dependent on the atomic structure of the material being examined. This relationship is given by Braggs law which states

n = 2dsin()

where n is the harmonic of the diffracted beam (n = 1 for these experiments), is the wavelength of the x-ray, d is the interplanar spacing between planes of specific orientation in the material and (theta) is the angle between the x-ray beam and the sample of the material. What is measured the goniometer is actually twice the angle () used Braggs law and is referred to as two-theta or 2.

You are to create a program that will read the 2-theta values and the intensities from a file and create a table that will contain the 2-theta values, the intensities, the d values and Q values where Q = 1/(sin())2 . The first line of the data file will contain the sample name which should be stored as a string object (note that this name may contain spaces). The second line will contain the anode (the elemental source of the x-ray) as a 2-character symbol which should also be stored as a string object. You will need to use this symbol to determine the wavelength of the x-ray using the table below. You should assume the format of the 2-character symbol will be an upper case letter followed by a lower case letter and the symbol will be one of those listed in the table below.

Anode Wavelength

Cu 1.54059

Cr 2.28973

Fe 1.93604

Co 1.78900

Mo 0.70932

The 2-theta (first column) and intensity values (second column) will start on the third line and continue on subsequent lines. The intensity values are whole numbers. You should design your program so it will continue to read data until the end of file is reached and count the number of peaks observed.

Your output should be a file that contains the name of the sample, the wavelength and a table containing the 2-theta and intensity values from the file plus the calculated d and Q values. The Programming Project 2 2 CMPSC 201 Fall 2017 wavelength should be output with 6 significant digits, the 2-theta values with 5 significant digits, the d values with 6 significant digits and the Q values with 7 significant digits. The table that you output should contain column headings than the values similar to the example given below. Your output file should have the extension .txt

Your program should allow the user to enter the name of the data file, but you do not need to worry about the folder path (assume the data file is in the same folder as your *.cpp file) and the name of the output file to be generated. A data file called Project2data.dat has been placed on CANVAS. This file contains different peaks than what is shown in the table below. This file can be opened with Notepad or Wordpad. Do not change the name of this file. Your program should also allow the user to analyze data from another file without rerunning the program.